CAS RN: 207861-63-0
Nickel bis(trifluoromethylsulfonyl)imide
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-097814
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g
- Available purity: >98%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
207861-63-0 / bis(bis(trifluoromethylsulfonyl)azanide);nickel(2+)
Basic Information
CAS
207861-63-0
Multi CAS
No
Molecular Formula
C4F12N2NiO8S4
Molecular Weight
619.000000
Exact Mass
617.769929
SMILES
C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Ni+2]
InChI
InChI=1S/2C2F6NO4S2.Ni/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q2*-1;+2
InChIKey
VFUSIQAHVPEYFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
66.62
TPSA
164.76
LogP / Solubility
WLOGP
2.12
MLOGP
1.91
XLogP3
2.12
Consensus LogP
2.05
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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